zirconium(4+) ion calcium trioxidandiide

• ChemBase ID: 302887
• Molecular Formular: CaO3Zr
• Molecular Mass: 179.3002
• Monoisotopic Mass: 177.85203884
• SMILES: [O-2].[O-2].[O-2].[Ca+2].[Zr+4]
• Canonical SMILES: [O-2].[O-2].[O-2].[Ca+2].[Zr+4]
• InChI: InChI=1S/Ca.3O.Zr/q+2;3*-2;+4
• InChIKey: OWDMWYGPNPPHFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion calcium trioxidandiide
• IUPAC Traditional name: zirconium(4+) ion calcium trioxidandiide
• Synonyms: Calcium zirconate; Calcium zirconium oxide; 锆酸钙

Database IDs

• CAS Number: 12013-47-7
• EC Number: 234-586-6
• MDL Number: MFCD00015982

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -325 Mesh Powder
• Melting Point: 2550°C

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99.2% (metals basis)